2,3,4,5-tetrapropylcyclopenta-2,4-dien-1-imine

C17H29N — CID 134993711

IUPAC2,3,4,5-tetrapropylcyclopenta-2,4-dien-1-imine
SMILES[H]N=C1C(CCC)=C(CCC)C(CCC)=C1CCC
InChIInChI=1S/C17H29N/c1-5-9-13-14(10-6-2)16(12-8-4)17(18)15(13)11-7-3/h18H,5-12H2,1-4H3
InChIKeyXMTSJNKQFSHFHJ-UHFFFAOYSA-N
MW247.43 g/mol
LogP5.81
Rot. Bonds8

About 2,3,4,5-tetrapropylcyclopenta-2,4-dien-1-imine

2,3,4,5-tetrapropylcyclopenta-2,4-dien-1-imine (PubChem CID 134993711) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is 2,3,4,5-tetrapropylcyclopenta-2,4-dien-1-imine.

Molecular Properties

Compound Name2,3,4,5-tetrapropylcyclopenta-2,4-dien-1-imine
PubChem CID134993711
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC Name2,3,4,5-tetrapropylcyclopenta-2,4-dien-1-imine
SMILES[H]N=C1C(CCC)=C(CCC)C(CCC)=C1CCC
InChIInChI=1S/C17H29N/c1-5-9-13-14(10-6-2)16(12-8-4)17(18)15(13)11-7-3/h18H,5-12H2,1-4H3
InChIKeyXMTSJNKQFSHFHJ-UHFFFAOYSA-N
XLogP5.81
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500247.43
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(4Z)-8-methyl-10,11,17,20-tetramethylidenetricosa-2,4,7,18,21-pentaen-9-imine
CID 123176685
3-Butyl-4-methylhepta-3,5,6-trien-2-imine
CID 123412060
2,3-Dimethylnon-2-en-4-imine
CID 123464515
(5E)-5-ethyl-2,8,9-trimethyl-3-methylidenedeca-1,5,8-trien-4-imine
CID 123804455
(4E,5Z)-4,5-di(ethylidene)-3-methylideneoctan-2-imine
CID 138648504
ethane;(2Z)-3-ethyl-4-methyl-2-[(Z)-2-methylhex-3-enylidene]cyclopent-3-en-1-imine
CID 143718087
ethane;ethene;(Z,4E)-4-ethylidene-6-methylidenedec-2-en-5-imine;2-methylprop-1-ene
CID 144448331
(2Z)-2-[1-(2-methylcyclopenten-1-yl)ethylidene]cyclopentan-1-imine
CID 146618744
(10Z,12E)-10-ethenyltetradeca-1,10,12-trien-3-imine
CID 163765893
(2Z,5E,6Z)-8-(cyclopenten-1-yl)-5-ethylidene-6-methylocta-2,6-dien-4-imine
CID 166776667
(3E,4Z,6E)-3-ethylidene-5-methyltetradeca-4,6-dien-2-imine
CID 166922334
(Z)-3,4-dimethylundec-3-en-2-imine
CID 166981034

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5-tetrapropylcyclopenta-2,4-dien-1-imine?
The IUPAC name of 2,3,4,5-tetrapropylcyclopenta-2,4-dien-1-imine (CID 134993711) is 2,3,4,5-tetrapropylcyclopenta-2,4-dien-1-imine.
What is the SMILES notation for 2,3,4,5-tetrapropylcyclopenta-2,4-dien-1-imine?
The canonical SMILES for 2,3,4,5-tetrapropylcyclopenta-2,4-dien-1-imine is [H]N=C1C(CCC)=C(CCC)C(CCC)=C1CCC.
What is the InChIKey of 2,3,4,5-tetrapropylcyclopenta-2,4-dien-1-imine?
The InChIKey is XMTSJNKQFSHFHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N/c1-5-9-13-14(10-6-2)16(12-8-4)17(18)15(13)11-7-3/h18H,5-12H2,1-4H3.
What are the key properties of 2,3,4,5-tetrapropylcyclopenta-2,4-dien-1-imine?
2,3,4,5-tetrapropylcyclopenta-2,4-dien-1-imine has a molecular weight of 247.43 g/mol, XLogP of 5.81, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetrapropylcyclopenta-2,4-dien-1-imine is sourced from PubChem (CID 134993711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).